Colloidal CdSe nanocrystals are inherently defective

by Tamar Goldzak, Alexandra R. McIsaac, Troy Van Voorhis
Published 2021-02-01

Electrochemically mediated carbon dioxide separation with quinone chemistry in salt-concentrated aqueous media

by Yayuan Liu, Hong-Zhou Ye, Kyle M. Diederichsen, Troy Van Voorhis, T. Alan Hatton
Published 2020-05-01

Salt Effect Accelerates Site-Selective Cysteine Bioconjugation

by Peng Dai, Chi Zhang, Matthew Welborn, James J. Shepherd, Tianyu Zhu, Troy Van Voorhis, Bradley L. Pentelute
Published 2016-08-01

First-Principles Monte Carlo Simulations of Reaction Equilibria in Compressed Vapors

by Evgenii O. Fetisov, I-Feng William Kuo, Chris Knight, Joost VandeVondele, Troy Van Voorhis, J. Ilja Siepmann
Published 2016-06-01

A structural and mechanistic study of π-clamp-mediated cysteine perfluoroarylation

by Peng Dai, Jonathan K. Williams, Chi Zhang, Matthew Welborn, James J. Shepherd, Tianyu Zhu, Troy Van Voorhis, Mei Hong, Bradley L. Pentelute
Published 2017-08-01

A pyridinic Fe-N4 macrocycle models the active sites in Fe/N-doped carbon electrocatalysts

by Travis Marshall-Roth, Nicole J. Libretto, Alexandra T. Wrobel, Kevin J. Anderton, Michael L. Pegis, Nathan D. Ricke, Troy Van Voorhis, Jeffrey T. Miller, Yogesh Surendranath
Published 2020-10-01

Lock-and-Key Exciplexes for Thermally Activated Delayed Fluorescence

by Constantin-Christian A. Voll, Georgios Markopoulos, Tony C. Wu, Matthew Welborn, Jens U. Engelhart, Sébastien Rochat, Grace G. D. Han, Graham T. Sazama, Ting-An Lin, Troy Van Voorhis, Marc A. Baldo, Timothy M. Swager
Published 2020-01-01

Theory and simulations of low-dimensional flexible materials toward nano-electronic applications

by Pablo Pedro, Ricardo
Published 2018

Theoretical investigation of solar energy conversion and water oxidation catalysis

by Wang, Lee-Ping
Published 2011

Theoretical investigations of the electronic processes in organic photovoltaics

by Yost, Shane Robert
Published 2013

Charge transport, configuration interaction and Rydberg states under density functional theory

by Cheng, Chiao-Lun
Published 2009

Electronic processes in organic optoelectronics : insights gained through modeling and magnetic field effects

by Hontz, Eric Richard
Published 2015

Free approximation of transport properties in organic system using Stochastic Random Matrix Theory

by Xie, Wanqin, Ph. D. Massachusetts Institute of Technology
Published 2015

Modeling non-radiative processes in solar materials

by Kohn, Alexander Wolfe
Published 2018

Studies of and methods for electronic properties of large chemical systems

by Welborn, Matthew Gregory
Published 2016

Aspects of charge recombination and charge transport in organic solar cells and light-emitting devices

by Difley, Seth
Published 2010

Density functional theory study of the conductivity of the biphenalenyl radical dimer

by Lu, Aiyan
Published 2007

Constrained Density-Functional Theory--Configuration Interaction

by Kaduk, Benjamin James
Published 2012

Real time density functional simulations of quantum scale conductance

by Evans, Jeremy Scott
Published 2009

Simulating energy transfer between nanocrystals and organic semiconductors

by Geva, Nadav
Published 2018